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CHEBI:57772 - N-acetyl-L-histidinate

Default Structure
ChEBI IDCHEBI:57772
ChEBI NameN-acetyl-L-histidinate
Stars
ASCII NameN-acetyl-L-histidinate
DefinitionThe conjugate base of N-acetyl-L-histidine; major species at pH 7.3.
Last Modified9 August 2016
DownloadsMolfile
FormulaC8H10N3O3
Net Charge-1
Average Mass196.186
Monoisotopic Mass196.07276
SMILESCC(=O)N[C@@H](Cc1cncn1)C(=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/p-1/t7-/m0/s1
InChIKeyKBOJOGQFRVVWBH-ZETCQYMHSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-histidinate (CHEBI:57772) is a N-acetyl-L-α-amino acid anion (CHEBI:233443)
N-acetyl-L-histidinate (CHEBI:57772) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-acetyl-L-histidinate (CHEBI:57772) is a histidinate derivative (CHEBI:66998)
N-acetyl-L-histidinate (CHEBI:57772) is conjugate base of N-acetyl-L-histidine (CHEBI:16437)
Incoming Relation(s)
N-acetyl-L-histidine (CHEBI:16437) is conjugate acid of N-acetyl-L-histidinate (CHEBI:57772)
IUPAC Name 
N2-acetyl-L-histidinate
Synonyms  Source
(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoateChEBI
N-acetyl-L-histidinate anionChEBI
N-acetyl-L-histidineChEBI
N-acetyl-L-histidine(1−)ChEBI
UniProt Name  Source
Nα-acetyl-L-histidineUniProt
Manual XrefsDatabases
CPD-424MetaCyc